SCHEMBL5804308

SCHEMBL5804308

CCC(=O)Nc1ccccc1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.49
RECQL P46063 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22210638 0.87 HDAC3 (0.53) L3MBTL1ALDH1A1HPGDLMNAKMT2A
SCHEMBL10690887 0.85 L3MBTL1 (0.64) L3MBTL1ALDH1A1HPGDLMNAHTT
SCHEMBL3022920 0.84 HDAC3 (0.65) ALDH1A1LMNAHTTKMT2ANPC1
SCHEMBL22966593 0.83 L3MBTL1 (0.62) L3MBTL1ALDH1A1HPGDLMNAHTT
SCHEMBL7931376 0.83 L3MBTL1 (0.62) L3MBTL1ALDH1A1HPGDLMNAHTT
SCHEMBL29025528 0.83 L3MBTL1 (0.62) L3MBTL1ALDH1A1HPGDLMNAHTT
SCHEMBL7522410 0.83 L3MBTL1 (0.71) L3MBTL1ALDH1A1HPGDLMNAHTT
SCHEMBL4172605 0.82 L3MBTL1 (0.70) L3MBTL1ALDH1A1HPGDLMNAHTT
SCHEMBL21504754 0.81 L3MBTL1 (0.73) L3MBTL1ALDH1A1HPGDLMNAHTT
SCHEMBL2419022 0.81 L3MBTL1 (0.68) L3MBTL1ALDH1A1HPGDLMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
WO-2007075414-A2 CHEMICALLY DERIVATIZED CD4 AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-07-05 WO disclosed
WO-2006098554-A1 NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof CD4, CD40LG, CD14 L3MBTL1 809/4885ALDH1A1 2899/4885HPGD 3069/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.